alpha-Chlorobenzyl isocyanate

Base Information

Chemical Name:alpha-Chlorobenzyl isocyanate
CAS No.:30122-00-0
Molecular Formula:C8H6ClNO
Molecular Weight:167.595
Hs Code.:
DSSTox Substance ID:DTXSID90497001
Nikkaji Number:J2.450.563D
Mol file:30122-00-0.mol

Synonyms:alpha-Chlorobenzyl isocyanate;30122-00-0;SCHEMBL4392961;[Chloro(isocyanato)methyl]benzene;DTXSID90497001

Suppliers and Price of alpha-Chlorobenzyl isocyanate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of alpha-Chlorobenzyl isocyanate

Chemical Property:

Boiling Point:120-130 °C(Press: 13 Torr)
PSA：29.43000
Density:1.16±0.1 g/cm3(Predicted)
LogP:2.25980
XLogP3:3.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:167.0137915
Heavy Atom Count:11
Complexity:160

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(N=C=O)Cl

Technology Process of alpha-Chlorobenzyl isocyanate

There total 6 articles about alpha-Chlorobenzyl isocyanate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 103-71-9
phenyl isocyanate

: 30122-00-0
α-chloro-benzylisocyanate

Guidance literature:: With chlorine; In tetrachloromethane; at 40 - 60 ℃; Irradiation;

Reference yield:

: 3693-54-7
diethyl N,N'-benzylidenebis(carbamate)

: 30122-00-0
α-chloro-benzylisocyanate

Guidance literature:: With phosphorus pentachloride; In benzene; for 4h; Heating;
DOI:10.1055/s-2006-926241

Reference yield:

: 100-52-7
benzaldehyde

: 30122-00-0
α-chloro-benzylisocyanate

Guidance literature:: Multi-step reaction with 2 steps

1: H₂SO₄ / 0.25 h / 150 - 160 °C

2: PCl₅ / benzene / 4 h / Heating

With phosphorus pentachloride; sulfuric acid; In benzene;
DOI:10.1055/s-2006-926241